[butan-2-yloxy(propanoyloxy)alumanyl] propanoate

C10H19AlO5 — CID 16707463

IUPAC[butan-2-yloxy(propanoyloxy)alumanyl] propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(C)CC
InChIInChI=1S/C4H9O.2C3H6O2.Al/c1-3-4(2)5;2*1-2-3(4)5;/h4H,3H2,1-2H3;2*2H2,1H3,(H,4,5);/q-1;;;+3/p-2
InChIKeyWBXNRGGJHRTFPU-UHFFFAOYSA-L
MW246.24 g/mol
LogP1.69
Rot. Bonds7

About [butan-2-yloxy(propanoyloxy)alumanyl] propanoate

[butan-2-yloxy(propanoyloxy)alumanyl] propanoate (PubChem CID 16707463) has the molecular formula C10H19AlO5 and a molecular weight of 246.24 g/mol. Its IUPAC name is [butan-2-yloxy(propanoyloxy)alumanyl] propanoate.

Molecular Properties

Compound Name[butan-2-yloxy(propanoyloxy)alumanyl] propanoate
PubChem CID16707463
Molecular FormulaC10H19AlO5
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name[butan-2-yloxy(propanoyloxy)alumanyl] propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(C)CC
InChIInChI=1S/C4H9O.2C3H6O2.Al/c1-3-4(2)5;2*1-2-3(4)5;/h4H,3H2,1-2H3;2*2H2,1H3,(H,4,5);/q-1;;;+3/p-2
InChIKeyWBXNRGGJHRTFPU-UHFFFAOYSA-L
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [butan-2-yloxy(propanoyloxy)alumanyl] propanoate?
The IUPAC name of [butan-2-yloxy(propanoyloxy)alumanyl] propanoate (CID 16707463) is [butan-2-yloxy(propanoyloxy)alumanyl] propanoate.
What is the SMILES notation for [butan-2-yloxy(propanoyloxy)alumanyl] propanoate?
The canonical SMILES for [butan-2-yloxy(propanoyloxy)alumanyl] propanoate is CCC(=O)O[Al](OC(=O)CC)OC(C)CC.
What is the InChIKey of [butan-2-yloxy(propanoyloxy)alumanyl] propanoate?
The InChIKey is WBXNRGGJHRTFPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.2C3H6O2.Al/c1-3-4(2)5;2*1-2-3(4)5;/h4H,3H2,1-2H3;2*2H2,1H3,(H,4,5);/q-1;;;+3/p-2.
What are the key properties of [butan-2-yloxy(propanoyloxy)alumanyl] propanoate?
[butan-2-yloxy(propanoyloxy)alumanyl] propanoate has a molecular weight of 246.24 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yloxy(propanoyloxy)alumanyl] propanoate is sourced from PubChem (CID 16707463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).